1-[(1-Isocyano-3-methylbutyl)sulfonyl]-4-methyl-benzene

Base Information

Chemical Name:1-[(1-Isocyano-3-methylbutyl)sulfonyl]-4-methyl-benzene
CAS No.:438237-86-6
Molecular Formula:C₁₃H₁₇NO₂S
Molecular Weight:251.349
Hs Code.:
DSSTox Substance ID:DTXSID30697629
Mol file:438237-86-6.mol

Synonyms:438237-86-6;1-[(1-ISOCYANO-3-METHYLBUTYL)SULFONYL]-4-METHYL-BENZENE;1-(1-isocyano-3-methylbutyl)sulfonyl-4-methylbenzene;SCHEMBL2559136;DTXSID30697629;AMY21651;A7008;FT-0604139;1-(1-isocyano-3-methylbutylsulfonyl)-4-methylbenzene;1-((1-isocyano-3-methylbutyl)sulfonyl)-4-methylbenzene;1-(1-Isocyano-3-methylbutane-1-sulfonyl)-4-methylbenzene;1-(1-ISOCYANO-3-METHYLBUTANESULFONYL)-4-METHYLBENZENE

Suppliers and Price of 1-[(1-Isocyano-3-methylbutyl)sulfonyl]-4-methyl-benzene

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
1-[(1-ISOCYANO-3-METHYLBUTYL)SULFONYL]-4-METHYL BENZENE 95.00%
5MG
$ 504.69

Total 6 raw suppliers

Chemical Property of 1-[(1-Isocyano-3-methylbutyl)sulfonyl]-4-methyl-benzene

Chemical Property:

PSA：42.52000
LogP:3.37170
XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:251.09799996
Heavy Atom Count:17
Complexity:377

Purity/Quality:

97% ^*data from raw suppliers

1-[(1-ISOCYANO-3-METHYLBUTYL)SULFONYL]-4-METHYL BENZENE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)C(CC(C)C)[N+]#[C-]

Technology Process of 1-[(1-Isocyano-3-methylbutyl)sulfonyl]-4-methyl-benzene

There total 3 articles about 1-[(1-Isocyano-3-methylbutyl)sulfonyl]-4-methyl-benzene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 58.0%

: C₁₃H₁₉NO₃S

: 438237-86-6
1-[(1-ISOCYANO-3-METHYLBUTYL)SULFONYL]-4-METHYL-BENZENE

Guidance literature:: C₁₃H₁₉NO₃S; With trichlorophosphate; In tetrahydrofuran; at 25 ℃; for 0.0833333h;

With triethylamine; In tetrahydrofuran; at 0 - 10 ℃;
DOI:10.15227/orgsyn.077.0198

Reference yield:

: 536-57-2
p-toluene sulfinic acid

: 438237-86-6
1-[(1-ISOCYANO-3-METHYLBUTYL)SULFONYL]-4-METHYL-BENZENE

Guidance literature:: Multi-step reaction with 2 steps

1.1: chloro-trimethyl-silane / acetonitrile; toluene / 50 °C

1.2: 50 °C

2.1: trichlorophosphate / tetrahydrofuran / 0.08 h / 25 °C

2.2: 0 - 10 °C

With chloro-trimethyl-silane; trichlorophosphate; In tetrahydrofuran; toluene; acetonitrile;
DOI:10.15227/orgsyn.077.0198

Reference yield:

: 824-79-3
sodium 4-methylbenzenesulfinate

: 438237-86-6
1-[(1-ISOCYANO-3-METHYLBUTYL)SULFONYL]-4-METHYL-BENZENE

Guidance literature:: Multi-step reaction with 3 steps

1.1: hydrogenchloride / water; tert-butyl methyl ether

2.1: chloro-trimethyl-silane / acetonitrile; toluene / 50 °C

2.2: 50 °C

3.1: trichlorophosphate / tetrahydrofuran / 0.08 h / 25 °C

3.2: 0 - 10 °C

With hydrogenchloride; chloro-trimethyl-silane; trichlorophosphate; In tetrahydrofuran; tert-butyl methyl ether; water; toluene; acetonitrile;
DOI:10.15227/orgsyn.077.0198